SCHEMBL7429552

SCHEMBL7429552

CCOC(=O)C(CNC(CC(C)C)C(=O)OCc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
CTSK P43235 6/20 0.45
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NTSR1 P30989 1/20 0.42
ATM Q13315 1/20 0.42
RECQL P46063 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7415848 0.91 CTSK (0.45) HSD17B10CTSKMAPTNPSR1CTSS
SCHEMBL7422355 0.88 AAK1 (0.44) HSD17B10CTSKMAPTNPSR1CTSS
SCHEMBL7420936 0.85 CTSL (0.41) HSD17B10CTSKMAPTNPSR1CTSS
SCHEMBL7426033 0.85 MAPT (0.42) HSD17B10CTSKMAPTNPSR1CTSL
SCHEMBL27300721 0.83 HSD17B10 (0.48) HSD17B10CTSKMAPTNPSR1CTSS
SCHEMBL7421323 0.82 NTSR1 (0.44) HSD17B10CTSKMAPTNPSR1CTSL
SCHEMBL29032634 0.81 CTSK (0.56) CTSKMAPTCTSSCTSLCTSB
SCHEMBL18775038 0.81 CTSK (0.56) CTSKMAPTCTSSCTSLCTSB
SCHEMBL7423971 0.80 MAPT (0.46) CTSKMAPTNPSR1CTSSCTSL
SCHEMBL5869726 0.79 FOLH1 (0.51) HSD17B10CTSKCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed